1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H29ClN2O2/c23-18-3-1-2-4-19(18)24-5-7-25(8-6-24)20(26)14-21-10-16-9-17(11-21)13-22(27,12-16)15-21/h1-4,16-17,27H,5-15H2/t16-,17+,21?,22?